3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol

C8H8FNO2 — CID 55292297

IUPAC3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol
SMILESNC1COc2c1ccc(O)c2F
InChIInChI=1S/C8H8FNO2/c9-7-6(11)2-1-4-5(10)3-12-8(4)7/h1-2,5,11H,3,10H2
InChIKeyFGAZQJJHSVILMZ-UHFFFAOYSA-N
MW169.16 g/mol
LogP0.92
Rot. Bonds

About 3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol

3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 55292297) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is 3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol
PubChem CID55292297
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Name3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol
SMILESNC1COc2c1ccc(O)c2F
InChIInChI=1S/C8H8FNO2/c9-7-6(11)2-1-4-5(10)3-12-8(4)7/h1-2,5,11H,3,10H2
InChIKeyFGAZQJJHSVILMZ-UHFFFAOYSA-N
XLogP0.92
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol (CID 55292297) is 3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol is NC1COc2c1ccc(O)c2F.
What is the InChIKey of 3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is FGAZQJJHSVILMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c9-7-6(11)2-1-4-5(10)3-12-8(4)7/h1-2,5,11H,3,10H2.
What are the key properties of 3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol?
3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 169.16 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 55292297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).